[Wed May 01 12:20:05 CST 2024] [MD] [warn] 'Starting MedeA Core 3.6.0'

Forcefield set to:   pcff+
  File: Local::/home/medea/MD/Jobs/dir500/758/pcff+.frc 	 md5 sum: 271FB553B535FE0449E31A6F8A0898D3

MedeA version 3.6.0

#-------------------------------------------------------------------------------
#                This calculation has 2 stages
#-------------------------------------------------------------------------------

Stage 1: Variables
	   tstep = 1 fs
	       T = 298.2 K
	       P = 1 bar

Stage 2: This LAMMPS calculation has 4 stages:

	Stage 2.1: Initialize LAMMPS for a Class 2 type of forcefield 'pcff+' (from Local::/home/medea/MD/Jobs/dir500/758/pcff+.frc)
		Current system formula: Mg4Cl8O2220H4440 (MgCl2O555H1110)
		The nonbond terms are handled with a cutoff at 12 Angstrom.
		The long-range Coulomb interactions are handled with the pppm method to a precision of 0.00001.
		The long-range van der Waals interactions are included via tail corrections.
	
	Stage 2.2: Minimize using conjugate gradients and linesearch fast
	                Relative energy convergence: 0.0
	                          Force convergence: 1.0
	                      Maximum atomic motion: 0.05
	               Maximum number of iterations: 3000
	        Maximum number of force evaluations: 10000
	
	Stage 2.3: Set the velocities for 298.2 K
	
	Stage 2.4: NPT integration for 2 ns with a timestep of 1 fs
		P is 1 bar with cell constrained isotropically
		T is 298.2 K
	


#-------------------------------------------------------------------------------
#                Running the calculation
#-------------------------------------------------------------------------------

Stage 1: Variables
	   tstep = 1 fs
	       T = 298.2 K
	       P = 1 bar

Stage 2: This LAMMPS calculation has 4 stages:

	***** LAMMPS error in LAMMPS.out *****
	ERROR: Lost atoms: original 6672 current 0 (../thermo.cpp:436)
	**************************************

	Stage 2.1: Initialize LAMMPS for a Class 2 type of forcefield 'pcff+' (from Local::/home/medea/MD/Jobs/dir500/758/pcff+.frc)
		Current system formula: Mg4Cl8O2220H4440 (MgCl2O555H1110)
		The nonbond terms are handled with a cutoff at 12 Angstrom.
		The long-range Coulomb interactions are handled with the pppm method to a precision of 0.00001.
		The long-range van der Waals interactions are included via tail corrections.
	
	Stage 2.2: Minimize using conjugate gradients and linesearch fast
	                Relative energy convergence: 0.0
	                          Force convergence: 1.0
	                      Maximum atomic motion: 0.05
	               Maximum number of iterations: 3000
	        Maximum number of force evaluations: 10000
	
An error occurred creating the resulting structure file 2.2.sci: can't use empty string as operand of "-"

can't use empty string as operand of "-"
    while executing
"expr {abs (($v2 - $v1)) / $v1}"
    (object "::minimize0" method "::MD::LAMMPS::Stage::Base::xyzToSci" body line 17)
    invoked from within
"::minimize0 xyzToSci 2.2.xyz"
    ("eval" body line 1)
    invoked from within
"eval ::minimize0 $args"
    (procedure "md-lammps-stage-829a38e0-0cc3-4870-bd9a-cc02faa6ba58" line 1)
    invoked from within
"$stage xyzToSci $sid.xyz"

Note: 2.2_Minimization.out contains warning messages from LAMMPS - examine this file for additional information.

The LAMMPS minimization appears to have failed drastically. You might check Minimization.out to see what happened.
Error in stage md-lammps-stage-829a38e0-0cc3-4870-bd9a-cc02faa6ba58 analyze: Stage 2.2: The LAMMPS minimization appears to have failed drastically. You might check Minimization.out to see what happened.
Stage 2.2: The LAMMPS minimization appears to have failed drastically. You might check Minimization.out to see what happened.
    while executing
"error "Stage $stageid: The LAMMPS minimization appears to have failed drastically. You might check Minimization.out to see what happened.""
    (object "::minimize0" method "::MD::LAMMPS::Stage::Minimize::analyze" body line 101)
    invoked from within
"::minimize0 analyze {}"
    ("eval" body line 1)
    invoked from within
"eval ::minimize0 $args"
    (procedure "md-lammps-stage-829a38e0-0cc3-4870-bd9a-cc02faa6ba58" line 1)
    invoked from within
"$stage analyze $sys"

Entire job completed on Wed 01 May 2024 at 12:20:22 CST after 7 s (0:00:07)
and running 1 tasks.